octyl 2-azanyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: octyl 2-azanyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: octyl 2-amino-1-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid octyl ester IUPAC Name: octyl 2-amino-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid octyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

InChI

InChI=1S/C27H32N4O2/c1-3-4-5-6-7-10-17-33-27(32)23-24-26(30-22-12-9-8-11-21(22)29-24)31(25(23)28)18-20-15-13-19(2)14-16-20/h8-9,11-16H,3-7,10,17-18,28H2,1-2H3